The only scalapack routines used are those for the eigensolver, which is used in the DFT calculations. So, running DFT tests will do a QA on scalapack.
Bert
Quote:Marcindulak Feb 6th 2:24 pmYes, i have a similar impression. I had to put a full link line related to scalapack (see point 3) into BLAS_LIB
(i guess BLASOPT would work too) variable
in oder to src/tools/ga-5-1/configure to find scalapack. On Fedora 16 x86_64:
0. yum install scalapack-openmpi-devel blacs-openmpi-devel openmpi-devel atlas-devel
1. cd src/tools/ga-5-1/
2. run:
./configure '--with-mpi=-I/usr/include/openmpi-x86_64 -L/usr/lib64/openmpi/lib' '--with-blas4=-L/usr/lib64/atlas -llapack -lf77blas -lcblas -latlas' '--with-scalapack=-L/usr/lib64/openmpi/lib -lmpiblacsF77init -lmpiblacs -lscalapack' 'CC=gcc' 'F77=gfortran' 'MPIEXEC=/usr/lib64/openmpi/bin/mpiexec'
Error in config.log:
configure:20768: checking for pdgetrs_ in -lscalapack
configure:20801: gcc -o conftest -L/usr/lib64/atlas conftest.c -lscalapack -L/usr/lib/gcc/x86_64-redhat-linux/4.6.2 -L/usr/lib/gcc/x86_64-redhat-linux/4.6.2/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.6.2/../../.. -lgfortran -lm -lquadmath -lm >&5
/usr/bin/ld: cannot find -lscalapack
collect2: ld returned 1 exit status
3. Adding blas/lapack and openmpi libs into --with-scalapack does not work, and the following configure line works (note the complete absence of --with-scalapack!):
./configure '--with-mpi=-I/usr/include/openmpi-x86_64 -L/usr/lib64/openmpi/lib' '--with-blas4=-L/usr/lib64/atlas -llapack -lf77blas -lcblas -latlas -L/usr/lib64/openmpi/lib -lmpiblacsF77init -lmpiblacs -lscalapack -L/usr/lib64/openmpi/lib -lmpi -lopen-pal -lopen-rte -lmpi_f90 -lmpi_f77' 'CC=gcc' 'F77=gfortran' 'MPIEXEC=/usr/lib64/openmpi/bin/mpiexec'
By the way, are there any scalapack tests in QA directory? |